2-[2-(2,2-dimethylbutanoylamino)phenyl]sulfanylpentanoic acid

Systemtic Name: 2-[2-(2,2-dimethylbutanoylamino)phenyl]sulfanylpentanoic acid Openeye Name: 2-[2-(2,2-dimethylbutanoylamino)phenyl]sulfanylpentanoic acid CAS Name: 2-[[2-[(2,2-dimethyl-1-oxobutyl)amino]phenyl]thio]pentanoic acid IUPAC Name: 2-[2-(2,2-dimethylbutanoylamino)phenyl]sulfanylpentanoic acid Traditional Name: 2-[[2-(2,2-dimethylbutanoylamino)phenyl]thio]valeric acid Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)SC1=CC=CC=C1NC(=O)C(C)(C)CC

Isomeric SMILES

CCCC(C(=O)O)SC1=CC=CC=C1NC(=O)C(C)(C)CC

InChI

InChI=1S/C17H25NO3S/c1-5-9-14(15(19)20)22-13-11-8-7-10-12(13)18-16(21)17(3,4)6-2/h7-8,10-11,14H,5-6,9H2,1-4H3,(H,18,21)(H,19,20)